(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol

C16H20N2O2 — CID 96540909

IUPAC(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
SMILESCOc1ccc([C@H](CO)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C16H20N2O2/c1-18(11-13-4-3-9-17-10-13)16(12-19)14-5-7-15(20-2)8-6-14/h3-10,16,19H,11-12H2,1-2H3/t16-/m0/s1
InChIKeyQXRCVWKHUDNJBL-INIZCTEOSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds6

About (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol

(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 96540909) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
PubChem CID96540909
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
SMILESCOc1ccc([C@H](CO)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C16H20N2O2/c1-18(11-13-4-3-9-17-10-13)16(12-19)14-5-7-15(20-2)8-6-14/h3-10,16,19H,11-12H2,1-2H3/t16-/m0/s1
InChIKeyQXRCVWKHUDNJBL-INIZCTEOSA-N
XLogP2.26
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol with MolForge

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Related Compounds

2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 71989008
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzonitrile
CID 95625791
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 95625779
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111123352
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111123359
[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
CID 170025838
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol (CID 96540909) is (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol is COc1ccc([C@H](CO)N(C)Cc2cccnc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is QXRCVWKHUDNJBL-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(11-13-4-3-9-17-10-13)16(12-19)14-5-7-15(20-2)8-6-14/h3-10,16,19H,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol?
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 96540909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).